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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) → HCID 178520561, 화합물

HRID 1480449
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HRID 1480449 반응식
[NH:1]1[CH:5]=[C:4]([CH2:6][CH2:7][CH2:8][C:9]([OH:11])=O)[N:3]=[N:2]1.Cl.[NH2:13][CH2:14][CH:15]1[CH2:20][CH2:19][N:18]([C:21]([O:23][CH2:24][C:25]2[CH:30]=[C:29]([Cl:31])[CH:28]=[C:27]([Cl:32])[CH:26]=2)=[O:22])[CH2:17][CH2:16]1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C=O)C>[NH:3]1[C:4]([CH2:6][CH2:7][CH2:8][C:9]([NH:13][CH2:14][CH:15]2[CH2:20][CH2:19][N:18]([C:21]([O:23][CH2:24][C:25]3[CH:26]=[C:27]([Cl:32])[CH:28]=[C:29]([Cl:31])[CH:30]=3)=[O:22])[CH2:17][CH2:16]2)=[O:11])=[CH:5][N:1]=[N:2]1
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반응물 3

HCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 867226743,5-Dichlorobenzyl 4-(aminomethyl)piperidine-1-carboxylate hydrochlorideHCID 178525383HCID 178525383, 화합물

생성물 1

HCID 178520561HCID 178520561, 화합물

시약·촉매·용매 1

HCID 6228
Dimethylformamide
용매

실험 절차

A mixture comprising of 4-(1H-1,2,3-triazol-4-yl)butanoic acid (Example 17, step 4) (65.8 mg, 0.424 mmol), 3,5-dichlorobenzyl 4-(aminomethyl)piperidine-1-carboxylate hydrochloride (step 2) (100 mg, 0.283 mmol), HATU (215 mg, 0.565 mmol) and TEA (197 μl, 1.414 mmol) in DMF (942 μl) was stirred at room temperature for 3 hours. Purification was carried out using preparative LC-MS under low pH conditions. The resulting product fractions were concentrated under reduced pressure to give aqueous solutions which were extracted with ethyl acetate. The organic extracts were dried over MgSO4, filtered and concentrated under reduced pressure to afford the title compound;

후처리

  1. customPurification
  2. concentrationThe resulting product fractions were concentrated under reduced pressure
  3. customto give aqueous solutions which
  4. extractionwere extracted with ethyl acetate
  5. dry with materialThe organic extracts were dried over MgSO4
  6. filtrationfiltered
  7. concentrationconcentrated under reduced pressure

출처 및 근거

ORD 기록
ord-52e4f98231354971b63ab76a6ba492cd
출처 데이터셋
uspto-grants-2016_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09409895B2

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